1-Methyl-3-phenylpiperidine

C₁₂H₁₇NCAS 19509-11-6175.27 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₂H₁₇N
Molar mass: 175.27 g/mol
Exact mass: 175.1361 Da
Boiling point: 126 °C (at 14 Torr)
logP: 2.50Crippen estimate
Polar surface area: 3.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Identifiers

CAS number

19509-11-6

SMILES

CN1CCCC(c2ccccc2)C1

InChIKey

AVIAGAGHRPKXCE-UHFFFAOYSA-N

InChI

InChI=1S/C12H17N/c1-13-9-5-8-12(10-13)11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10H2,1H3

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Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

Piperidine, 1-methyl-3-phenyl-

Work with 1-Methyl-3-phenylpiperidine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-Methyl-3-phenylpiperazine5271-27-249 % similar Cyclizine82-92-846 % similar Cyclizine hydrochloride303-25-342 % similar 3-Phenylpiperidine3973-62-442 % similar Diafen132-18-341 % similar Mepazine hydrochloride2975-36-241 % similar 3-Hydroxy-1-methylpiperidine3554-74-341 % similar (1-Ethylpropyl)benzene1196-58-341 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3-Benzylpiperidine13603-25-3 N-Cyclohexylbenzenamine1821-36-9 1-Benzylpiperidine2905-56-8 4-Benzylpiperidine31252-42-3 2-Benzylpiperidine32838-55-4 4-Cyclohexylbenzenamine6373-50-8

Elsewhere

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